General Information of the Compound
| Compound ID |
CP0427186
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| Compound Name |
3-(3,4-difluorophenyl)-1-(2-(diisopropylamino)ethyl)-1-((3R,6S)-6-phenylbicyclo[4.1.0]heptan-3-yl)urea
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| Structure |
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| Formula |
C28H37F2N3O
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| Molecular Weight |
469.62
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| Canonical SMILES |
CC(C)N(CCN([C@@H]1CC[C@@]2(CC2C1)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1)C(C)C
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| InChI |
InChI=1S/C28H37F2N3O/c1-19(2)32(20(3)4)14-15-33(27(34)31-23-10-11-25(29)26(30)17-23)24-12-13-28(18-22(28)16-24)21-8-6-5-7-9-21/h5-11,17,19-20,22,24H,12-16,18H2,1-4H3,(H,31,34)/t22?,24-,28-/m1/s1
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| InChIKey |
BZHXKJIPTKLTTO-FKCQOYNMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound